N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

C23H24FN7O2S — CID 146418435

IUPACN-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C45CC(C4)C5)C3)c2s1
InChIInChI=1S/C23H24FN7O2S/c1-11(14-3-15(24)8-25-7-14)26-22-29-17(18-19(30-22)27-12(2)34-18)20(32)31-9-16(10-31)28-21(33)23-4-13(5-23)6-23/h3,7-8,11,13,16H,4-6,9-10H2,1-2H3,(H,28,33)(H,26,29,30)
InChIKeyCUGGVALHNFOPOZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.84
Rot. Bonds6

About N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 146418435) has the molecular formula C23H24FN7O2S and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID146418435
Molecular FormulaC23H24FN7O2S
Molecular Weight481.56 g/mol
Exact Mass481.17
IUPAC NameN-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C45CC(C4)C5)C3)c2s1
InChIInChI=1S/C23H24FN7O2S/c1-11(14-3-15(24)8-25-7-14)26-22-29-17(18-19(30-22)27-12(2)34-18)20(32)31-9-16(10-31)28-21(33)23-4-13(5-23)6-23/h3,7-8,11,13,16H,4-6,9-10H2,1-2H3,(H,28,33)(H,26,29,30)
InChIKeyCUGGVALHNFOPOZ-UHFFFAOYSA-N
XLogP2.84
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 146418435) is N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C45CC(C4)C5)C3)c2s1.
What is the InChIKey of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is CUGGVALHNFOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2S/c1-11(14-3-15(24)8-25-7-14)26-22-29-17(18-19(30-22)27-12(2)34-18)20(32)31-9-16(10-31)28-21(33)23-4-13(5-23)6-23/h3,7-8,11,13,16H,4-6,9-10H2,1-2H3,(H,28,33)(H,26,29,30).
What are the key properties of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 146418435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).